LE3
Summary
Name: | N-{4-[(R)-methylsulfinyl]butyl}thioformamide |
Synonyms: | L-Sulforaphane, bound form |
Formula: | C6 H13 N O S2 |
Formal charge: | 0 |
Formula weight: | 179.304 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-{4-[(R)-methylsulfinyl]butyl}thioformamide |
OpenEye OEToolkits | 1.7.2 | N-[4-[(R)-methylsulfinyl]butyl]methanethioamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(CCCCNC=S)C |
InChI | InChI | 1.03 | InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | ZWRKPZDQBQKJAE-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C[S@@](=O)CCCCNC=S |
SMILES | CACTVS | 3.370 | C[S](=O)CCCCNC=S |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[S@@](=O)CCCCNC=S |
SMILES | OpenEye OEToolkits | 1.7.2 | CS(=O)CCCCNC=S |